Mol:BMCCPPCB0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
90100 0 0 1 0 0 0 0 0999 V2000
6.4508 2.7018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0954 5.3177 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5021 4.4042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.5954 6.1838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1172 5.5257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0022 3.5382 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.9262 6.9269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5735 6.3917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.0127 6.5202 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6714 2.7951 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.5849 3.2018 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.2352 7.8780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8825 7.3427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2134 8.0859 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.5661 8.6211 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.7012 1.9160 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.7012 0.9160 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.7012 -0.0840 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.0412 1.1282 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
11.0412 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6840 1.8943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3271 -1.3124 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.4451 0.5592 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.6361 -0.0286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7226 0.3781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9135 -0.2096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.1971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.6209 -2.4152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8285 -3.0251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9604 -4.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4890 -1.4240 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.4451 1.2728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9296 0.2901 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.1238 1.4934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1238 0.3387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1238 -0.6613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3352 -0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3352 2.2820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1238 2.4934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3444 3.1721 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
8.0580 3.1721 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
8.2785 2.4934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2785 1.4934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0980 0.1372 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
9.0672 2.2820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4800 -0.4808 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
8.0580 4.1721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7566 3.9811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1633 4.8946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5755 5.7037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5810 5.5991 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.9240 4.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7901 4.1721 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
12.6499 2.1531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.4159 2.7959 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.1361 2.2239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0091 3.4811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1680 -4.6263 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.0165 -2.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7339 -2.9960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7619 -3.2308 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.5870 -1.8558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9208 0.1581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1104 -0.6934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3022 -0.7663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6923 -1.5588 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.9660 -0.8540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8864 2.8556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6281 -1.1571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4451 1.2728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7012 0.9160 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.2999 -5.6176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5075 -6.2275 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.5830 -5.8461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4802 4.1963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7204 2.4860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0363 3.7970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.7012 0.9160 0.0000 Co 0 3 0 0 0 0 0 0 0 0 0 0
3.0181 -1.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.9823 6.6172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9240 5.6721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.3570 1.4460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.8849 -4.3977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.4233 -3.7204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.2934 -0.8983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6395 -7.2187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8470 -7.8286 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
4.2371 -7.0362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4569 -8.6211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0545 -8.4386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10 11 1 0 0 0 0
13 14 1 0 0 0 0
3 2 1 0 0 0 0
2 4 1 0 0 0 0
2 5 1 0 0 0 0
6 3 1 0 0 0 0
3 75 1 6 0 0 0
4 7 2 0 0 0 0
4 8 1 0 0 0 0
5 9 2 0 0 0 0
6 10 1 0 0 0 0
11 75 1 6 0 0 0
11 1 1 0 0 0 0
6 77 1 1 0 0 0
49 50 1 0 0 0 0
32 23 1 0 0 0 0
50 51 1 0 0 0 0
23 35 1 0 0 0 0
50 80 2 0 0 0 0
71 34 1 0 0 0 0
47 52 1 0 0 0 0
46 22 1 4 0 0 0
52 53 1 0 0 0 0
20 21 1 0 0 0 0
52 81 2 0 0 0 0
28 29 1 0 0 0 0
21 54 1 0 0 0 0
18 36 1 0 0 0 0
54 55 1 0 0 0 0
31 36 1 1 0 0 0
54 82 2 0 0 0 0
31 22 1 0 0 0 0
46 18 1 0 0 0 0
36 37 2 0 0 0 0
37 35 1 0 0 0 0
32 56 1 0 0 0 0
29 30 1 0 0 0 0
34 38 2 0 0 0 0
38 39 1 0 0 0 0
42 16 1 0 0 0 0
41 57 1 1 0 0 0
19 20 1 1 0 0 0
30 58 1 0 0 0 0
39 40 1 0 0 0 0
30 83 2 0 0 0 0
40 41 1 0 0 0 0
22 59 1 6 0 0 0
41 42 1 0 0 0 0
59 60 1 0 0 0 0
16 39 2 0 0 0 0
60 61 1 0 0 0 0
33 44 1 0 0 0 0
60 84 2 0 0 0 0
23 24 1 1 0 0 0
17 43 2 0 0 0 0
43 19 1 0 0 0 0
19 33 1 0 0 0 0
44 17 1 0 0 0 0
43 45 1 0 0 0 0
45 42 2 0 0 0 0
31 62 1 6 0 0 0
44 46 1 6 0 0 0
24 25 1 0 0 0 0
41 47 1 6 0 0 0
25 26 1 0 0 0 0
40 48 1 1 0 0 0
33 63 1 6 0 0 0
48 49 1 0 0 0 0
33 64 1 1 0 0 0
26 79 2 0 0 0 0
63 65 1 0 0 0 0
35 71 2 0 0 0 0
65 66 1 0 0 0 0
26 27 1 0 0 0 0
65 85 2 0 0 0 0
44 67 1 1 0 0 0
31 28 1 0 0 0 0
45 68 1 0 0 0 0
34 32 1 0 0 0 0
37 69 1 0 0 0 0
32 70 1 0 0 0 0
18 78 1 0 0 0 0
17 78 1 0 0 0 0
16 78 1 0 0 0 0
78 71 1 0 0 0 0
78 1 1 0 0 0 0
58 72 1 0 0 0 0
7 12 1 0 0 0 0
72 73 1 0 0 0 0
8 13 2 0 0 0 0
73 86 1 0 0 0 0
10 76 1 1 0 0 0
73 74 1 1 0 0 0
86 87 1 0 0 0 0
12 14 2 0 0 0 0
87 88 1 0 0 0 0
12 15 1 0 0 0 0
87 89 1 0 0 0 0
7 9 1 0 0 0 0
87 90 2 0 0 0 0
S SKP 7
ID BMCCPPCB0004
NAME (2R,3R,4S,5R) -2- (6-Aminopurin-9-yl) -5-methanidyloxolane-3,4-diol; cobalt(3+) ; 1- [3- [(2R,3R,5Z,7S,10Z,12S,13S,15Z,17S,18S,19R) -2,13,18-tris(2-amino-2-oxoethyl) -7,12,17-tris(3-amino-3-oxopropyl) -3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-24-id-3-yl] propanoylamino] propan-2-yl dihydrogen phosphate
FORMULA C58H85CoN16O14P
EXACTMASS 1319.55
AVERAGEMASS 1320.3019
SMILES C[C@](C=4%11)(CCC(=O)NC[C@@H](OP(O)(O)=O)C)[C@H](C(N%117)[C@@](C)(N=16)[C@](C)(CC(N)=O)[C@@H](C1C(C)=C(N5=2)[C@@](C)([C@H](CCC(N)=O)C2C=C(C(C)(C)3)N([Co+1]56(C[C@@H](O8)[C@@H](O)[C@@H](O)[C@@H]8n(c%109)cnc9c(N)ncn%10)7)=C(C4C)[C@H]3CCC(N)=O)CC(N)=O)CCC(N)=O)CC(N)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06509
M END
